| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:07 UTC |
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| Update Date | 2025-03-21 18:41:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132087 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C9H18N2O4S3 |
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| Molecular Mass | 314.0429 |
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| SMILES | CS(=O)(=O)CCCCNC(=S)SCC(N)C(=O)O |
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| InChI Key | WKZUKZXHAXQYEH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdithiocarbamic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundssulfones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compounddithiocarbamic acid esterorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundsulfone |
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